1-[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]-2-(pyridin-3-ylmethyl)guanidine

Systemtic Name: 1-[3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]-2-(pyridin-3-ylmethyl)guanidine Openeye Name: 1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]-2-(3-pyridylmethyl)guanidine CAS Name: 1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]-2-(3-pyridinylmethyl)guanidine IUPAC Name: 1-[3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl]-2-(pyridin-3-ylmethyl)guanidine Traditional Name: 1-[3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxy-phenyl]-2-(3-pyridylmethyl)guanidine Formula: C25H30N8O2 MolecularWeight: 474.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)NC(=NCC4=CN=CC=C4)N)OCCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)NC(=NCC4=CN=CC=C4)N)OCCC)C

InChI

InChI=1S/C25H30N8O2/c1-4-7-19-21-22(33(3)32-19)24(34)31-23(30-21)18-13-17(9-10-20(18)35-12-5-2)29-25(26)28-15-16-8-6-11-27-14-16/h6,8-11,13-14H,4-5,7,12,15H2,1-3H3,(H3,26,28,29)(H,30,31,34)